Octanoic acid, but-3-yn-2-yl ester
but-3-yn-2-yl octanoate
Also Known As: but-3-yn-2-yl octanoate|Octanoic acid, but-3-yn-2-yl ester|Octanoic acid,but-3-yn-2-yl ester|Octanoic acid, 1-methyl-2-propynyl ester
CAS: 215544-17-5
| Molecular Formula | C12H20O2 |
|---|---|
| Molecular Weight | 196.14633 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 196.14633 |
| Monoisotopic Mass | 196.14633 |
| Heavy Atoms | 14 |
| Complexity | 200.0 |
Chemical Identifiers
| CAS Number | 215544-17-5 |
|---|---|
| SMILES | CCCCCCCC(=O)OC(C)C#C |
| InChIKey | JGTVWNZUWKACIY-UHFFFAOYSA-N |
Product Overview
Octanoic acid, but-3-yn-2-yl ester (CAS 215544-17-5), with molecular formula C12H20O2 and molecular weight 196.14633 g/mol. IUPAC: but-3-yn-2-yl octanoate.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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